N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide

C17H12BrFN2O2 — CID 91689995

IUPACN-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESNc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1F
InChIInChI=1S/C17H12BrFN2O2/c18-11-3-1-10(2-4-11)15-7-8-16(23-15)17(22)21-12-5-6-13(19)14(20)9-12/h1-9H,20H2,(H,21,22)
InChIKeyPWJZVBBGFZDQFQ-UHFFFAOYSA-N
MW375.20 g/mol
LogP4.68
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide

N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 91689995) has the molecular formula C17H12BrFN2O2 and a molecular weight of 375.20 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID91689995
Molecular FormulaC17H12BrFN2O2
Molecular Weight375.20 g/mol
Exact Mass374.01
IUPAC NameN-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESNc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1F
InChIInChI=1S/C17H12BrFN2O2/c18-11-3-1-10(2-4-11)15-7-8-16(23-15)17(22)21-12-5-6-13(19)14(20)9-12/h1-9H,20H2,(H,21,22)
InChIKeyPWJZVBBGFZDQFQ-UHFFFAOYSA-N
XLogP4.68
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 43914414
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide (CID 91689995) is N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide is Nc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is PWJZVBBGFZDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2/c18-11-3-1-10(2-4-11)15-7-8-16(23-15)17(22)21-12-5-6-13(19)14(20)9-12/h1-9H,20H2,(H,21,22).
What are the key properties of N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 375.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 91689995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).